1,3,3,3-tetrafluoropropan-1-ol;hydrate

C3H6F4O2 — CID 153370161

IUPAC1,3,3,3-tetrafluoropropan-1-ol;hydrate
SMILESO.OC(F)CC(F)(F)F
InChIInChI=1S/C3H4F4O.H2O/c4-2(8)1-3(5,6)7;/h2,8H,1H2;1H2
InChIKeyUTQWVUHITXZYSF-UHFFFAOYSA-N
MW150.07 g/mol
LogP0.40
Rot. Bonds1

About 1,3,3,3-tetrafluoropropan-1-ol;hydrate

1,3,3,3-tetrafluoropropan-1-ol;hydrate (PubChem CID 153370161) has the molecular formula C3H6F4O2 and a molecular weight of 150.07 g/mol. Its IUPAC name is 1,3,3,3-tetrafluoropropan-1-ol;hydrate.

Molecular Properties

Compound Name1,3,3,3-tetrafluoropropan-1-ol;hydrate
PubChem CID153370161
Molecular FormulaC3H6F4O2
Molecular Weight150.07 g/mol
Exact Mass150.03
IUPAC Name1,3,3,3-tetrafluoropropan-1-ol;hydrate
SMILESO.OC(F)CC(F)(F)F
InChIInChI=1S/C3H4F4O.H2O/c4-2(8)1-3(5,6)7;/h2,8H,1H2;1H2
InChIKeyUTQWVUHITXZYSF-UHFFFAOYSA-N
XLogP0.40
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol
CID 94865854
ethane;1,1,1-trifluoropentan-3-ol
CID 170602798
1,1,1,3-tetrafluoro-3-methoxypropane
CID 141176664
2,4,4,4-tetrafluorobutanoic acid
CID 24794893
2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol
CID 84767515
1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane
CID 15044638
1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane
CID 88585021
2-(difluoromethyl)-4,4,4-trifluorobutanal
CID 84767037
(3,3,4,6,6,6-hexafluoro-2-methylhexan-2-yl)phosphonic acid
CID 150136088
4-chloro-1,1,1,3-tetrafluorobutane
CID 174723522
(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane
CID 97291038
1,1,2,4,4,4-hexafluorobutan-1-amine
CID 156717565

Frequently Asked Questions

What is the IUPAC name of 1,3,3,3-tetrafluoropropan-1-ol;hydrate?
The IUPAC name of 1,3,3,3-tetrafluoropropan-1-ol;hydrate (CID 153370161) is 1,3,3,3-tetrafluoropropan-1-ol;hydrate.
What is the SMILES notation for 1,3,3,3-tetrafluoropropan-1-ol;hydrate?
The canonical SMILES for 1,3,3,3-tetrafluoropropan-1-ol;hydrate is O.OC(F)CC(F)(F)F.
What is the InChIKey of 1,3,3,3-tetrafluoropropan-1-ol;hydrate?
The InChIKey is UTQWVUHITXZYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O.H2O/c4-2(8)1-3(5,6)7;/h2,8H,1H2;1H2.
What are the key properties of 1,3,3,3-tetrafluoropropan-1-ol;hydrate?
1,3,3,3-tetrafluoropropan-1-ol;hydrate has a molecular weight of 150.07 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,3-tetrafluoropropan-1-ol;hydrate is sourced from PubChem (CID 153370161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).